Chemical Properties of Benzeneethanamine, N,N-dimethyl- (CAS 1126-71-2)

InChI

InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChI Key

TXOFSCODFRHERQ-UHFFFAOYSA-N

Formula

C10H15N

SMILES

CN(C)CCc1ccccc1

Molecular Weight¹

149.23

CAS

1126-71-2

Other Names

• Benzeneethanamine, dimethyl-
• Dimethylaminoethylbenzene
• N,N-Dimethyl-2-phenethylamine
• N,N-Dimethyl-«beta»-phenethylamine
• N,N-Dimethyl-«beta»-phenethylamine
• N,N-Dimethylbenzeneethanamine
• N,N-Dimethylphenethylamine
• N-Phenethyldimethylamine
• Phenethylamine, N,N-dimethyl-
• Phenylethylamine, N,N-dimethyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3974		Relay (1.0) Calculated Property
ΔfG°	256.51	kJ/mol	Joback Calculated Property
ΔfH°gas	89.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.72	kJ/mol	Joback Calculated Property
ΔvapH°	55.49	kJ/mol	Relay (1.0) Calculated Property
IE	[7.70; 8.35]	eV
IE	7.70 ± 0.03	eV	NIST
IE	7.70 ± 0.05	eV	NIST
IE	8.35 ± 0.14	eV	NIST
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	1.791		Crippen Calculated Property
McVol	137.980	ml/mol	McGowan Calculated Property
Pc	2925.00	kPa	Joback Calculated Property
Inp	[1159.00; 1173.00]
Inp	1170.00		NIST
Inp	1173.00		NIST
Inp	1159.00		NIST
Inp	1159.00		NIST
I	[1498.00; 1498.00]
I	1498.00		NIST
I	1498.00		NIST
Tboil	475.65 ± 5.00	K	NIST
Tc	678.64	K	Relay (1.0) Calculated Property
Tfus	258.41	K	Relay (1.0) Calculated Property
Vc	0.517	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[288.39; 371.44]	J/mol×K	[467.32; 669.26]
Cp,gas	288.39	J/mol×K	467.32	Joback Calculated Property
Cp,gas	304.41	J/mol×K	500.98	Joback Calculated Property
Cp,gas	319.51	J/mol×K	534.63	Joback Calculated Property
Cp,gas	333.72	J/mol×K	568.29	Joback Calculated Property
Cp,gas	347.09	J/mol×K	601.95	Joback Calculated Property
Cp,gas	359.65	J/mol×K	635.60	Joback Calculated Property
Cp,gas	371.44	J/mol×K	669.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[360.90; 503.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54194e+01
Coefficient B			-4.33068e+03
Coefficient C			-7.47010e+01
Temperature range, min.			360.90
Temperature range, max.			503.14
Pvap	1.33	kPa	360.90	Calculated Property
Pvap	2.94	kPa	376.70	Calculated Property
Pvap	6.01	kPa	392.51	Calculated Property
Pvap	11.45	kPa	408.31	Calculated Property
Pvap	20.60	kPa	424.12	Calculated Property
Pvap	35.22	kPa	439.92	Calculated Property
Pvap	57.60	kPa	455.73	Calculated Property
Pvap	90.58	kPa	471.53	Calculated Property
Pvap	137.58	kPa	487.34	Calculated Property
Pvap	202.63	kPa	503.14	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine, N,N-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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